smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000641802 210256685 /nfs/dbraw/zinc/25/66/85/210256685.db2.gz ZTNMPRCCESGEAH-UHFFFAOYSA-N 0 1 364.681 5.064 50 0 FKAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC ZINC000000706777 570451697 /nfs/dbraw/zinc/45/16/97/570451697.db2.gz SNUBRUPQCUACSG-UHFFFAOYSA-N 0 1 362.351 5.039 50 0 FKAAMN Cc1ccc(-c2csc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)cc1 ZINC000000723935 570453310 /nfs/dbraw/zinc/45/33/10/570453310.db2.gz MLALCNSYCGEUCU-UHFFFAOYSA-N 0 1 364.495 5.144 50 0 FKAAMN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000753204 570454489 /nfs/dbraw/zinc/45/44/89/570454489.db2.gz PTEIICCCKUAOBH-UHFFFAOYSA-N 0 1 371.072 5.101 50 0 FKAAMN Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(-c2ccccc2O)n1 ZINC000000753235 570454384 /nfs/dbraw/zinc/45/43/84/570454384.db2.gz MAFHJBFJJMJTSZ-UHFFFAOYSA-N 0 1 354.409 5.617 50 0 FKAAMN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000753274 210267681 /nfs/dbraw/zinc/26/76/81/210267681.db2.gz DFFDYNVDTLJCGX-UHFFFAOYSA-N 0 1 371.072 5.101 50 0 FKAAMN CC[C@@H](C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000753324 570454934 /nfs/dbraw/zinc/45/49/34/570454934.db2.gz ZHMQUTYADDALLW-LLVKDONJSA-N 0 1 358.290 5.308 50 0 FKAAMN CC[C@H](C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000753325 219318623 /nfs/dbraw/zinc/31/86/23/219318623.db2.gz ZHMQUTYADDALLW-NSHDSACASA-N 0 1 358.290 5.308 50 0 FKAAMN Cc1ccnc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000000754525 570454844 /nfs/dbraw/zinc/45/48/44/570454844.db2.gz DNKAATYLRJATBI-UHFFFAOYSA-N 0 1 374.550 5.561 50 0 FKAAMN Cc1cc(C)nc(Nc2nc3cc(Cl)ccc3c(-c3ccccc3)n2)n1 ZINC000000755334 570454849 /nfs/dbraw/zinc/45/48/49/570454849.db2.gz OJKZHSISTGCJEA-UHFFFAOYSA-N 0 1 361.836 5.101 50 0 FKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)o1 ZINC000000755712 571068874 /nfs/dbraw/zinc/06/88/74/571068874.db2.gz YSXDLANDMVXMIR-QGZVFWFLSA-N 0 1 369.467 5.073 50 0 FKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)o1 ZINC000000755713 571068804 /nfs/dbraw/zinc/06/88/04/571068804.db2.gz YSXDLANDMVXMIR-KRWDZBQOSA-N 0 1 369.467 5.073 50 0 FKAAMN C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000000756604 219319800 /nfs/dbraw/zinc/31/98/00/219319800.db2.gz KWQTXMAIRPMWQC-AWEZNQCLSA-N 0 1 358.407 5.176 50 0 FKAAMN C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000000756604 219319794 /nfs/dbraw/zinc/31/97/94/219319794.db2.gz KWQTXMAIRPMWQC-AWEZNQCLSA-N 0 1 358.407 5.176 50 0 FKAAMN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000000756605 570455420 /nfs/dbraw/zinc/45/54/20/570455420.db2.gz KWQTXMAIRPMWQC-CQSZACIVSA-N 0 1 358.407 5.176 50 0 FKAAMN c1ccc(COc2ccc3ccccc3c2CNCc2cccnc2)cc1 ZINC000000806068 570457542 /nfs/dbraw/zinc/45/75/42/570457542.db2.gz GOMQVUARCRRAKN-UHFFFAOYSA-N 0 1 354.453 5.104 50 0 FKAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000000825200 219326501 /nfs/dbraw/zinc/32/65/01/219326501.db2.gz NUVINAWRXAHZNE-NRFANRHFSA-N 0 1 360.844 5.424 50 0 FKAAMN O=C1C(=Nc2ccccc2)C[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000000825201 570459161 /nfs/dbraw/zinc/45/91/61/570459161.db2.gz NUVINAWRXAHZNE-OAQYLSRUSA-N 0 1 360.844 5.424 50 0 FKAAMN Oc1cccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)c1 ZINC000000828893 219328144 /nfs/dbraw/zinc/32/81/44/219328144.db2.gz FNBIAVTZZHJLPU-UHFFFAOYSA-N 0 1 362.432 6.270 50 0 FKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000000843901 219329541 /nfs/dbraw/zinc/32/95/41/219329541.db2.gz AWYDFJFYGDRQMB-OAQYLSRUSA-N 0 1 362.379 5.049 50 0 FKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000000843902 210278928 /nfs/dbraw/zinc/27/89/28/210278928.db2.gz AWYDFJFYGDRQMB-NRFANRHFSA-N 0 1 362.379 5.049 50 0 FKAAMN COc1ccccc1CNc1ccc2c(c1)nc(C)n2Cc1ccccc1 ZINC000000845781 219329530 /nfs/dbraw/zinc/32/95/30/219329530.db2.gz HWLTYJJBRFWXLN-UHFFFAOYSA-N 0 1 357.457 5.014 50 0 FKAAMN Cc1nc2cc(NCc3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000000845783 210278337 /nfs/dbraw/zinc/27/83/37/210278337.db2.gz OQUHEBWXJKNTMJ-UHFFFAOYSA-N 0 1 361.876 5.659 50 0 FKAAMN CCc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000869184 219334531 /nfs/dbraw/zinc/33/45/31/219334531.db2.gz QRJVELDMZISQMF-UHFFFAOYSA-N 0 1 363.438 5.160 50 0 FKAAMN C[N@@H+](CCc1ccccn1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000875276 570632310 /nfs/dbraw/zinc/63/23/10/570632310.db2.gz NGXPBIIGDXTUFZ-UHFFFAOYSA-N 0 1 354.538 5.057 50 0 FKAAMN Cc1ccc(N=C2C[C@@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000898769 219337920 /nfs/dbraw/zinc/33/79/20/219337920.db2.gz MSAKKWXGDVHYGM-QHCPKHFHSA-N 0 1 372.443 5.526 50 0 FKAAMN Cc1ccc(N=C2C[C@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000898775 570463159 /nfs/dbraw/zinc/46/31/59/570463159.db2.gz MSAKKWXGDVHYGM-HSZRJFAPSA-N 0 1 372.443 5.526 50 0 FKAAMN Cc1cc(Nc2ccc(I)cc2)c2cccc(C)c2n1 ZINC000000946581 206143142 /nfs/dbraw/zinc/14/31/42/206143142.db2.gz QFIOEIIXLCONNE-UHFFFAOYSA-N 0 1 374.225 5.200 50 0 FKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000000948670 206143632 /nfs/dbraw/zinc/14/36/32/206143632.db2.gz LXHOFSNFCGZTLP-PKTZIBPZSA-N 0 1 368.436 5.272 50 0 FKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000000948671 219345855 /nfs/dbraw/zinc/34/58/55/219345855.db2.gz LXHOFSNFCGZTLP-DHIUTWEWSA-N 0 1 368.436 5.272 50 0 FKAAMN COC(=O)c1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000949571 209384981 /nfs/dbraw/zinc/38/49/81/209384981.db2.gz XCQMRNBEJUXIPB-UHFFFAOYSA-N 0 1 360.335 5.092 50 0 FKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000952825 570466129 /nfs/dbraw/zinc/46/61/29/570466129.db2.gz IXPCFQBQYIMWPM-UHFFFAOYSA-N 0 1 370.836 5.126 50 0 FKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000952827 570466208 /nfs/dbraw/zinc/46/62/08/570466208.db2.gz MIOWIWFNAJPKNA-UHFFFAOYSA-N 0 1 354.837 5.425 50 0 FKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000952833 210295439 /nfs/dbraw/zinc/29/54/39/210295439.db2.gz AEIOIMJJFMDCSH-UHFFFAOYSA-N 0 1 374.362 5.482 50 0 FKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000952838 571140303 /nfs/dbraw/zinc/14/03/03/571140303.db2.gz WEFZICZZSWZEBP-UHFFFAOYSA-N 0 1 354.837 5.425 50 0 FKAAMN Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000000976505 219348955 /nfs/dbraw/zinc/34/89/55/219348955.db2.gz DTWKUOMKRNQTNT-UHFFFAOYSA-N 0 1 369.829 5.251 50 0 FKAAMN Cc1cc(C)nc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 ZINC000000983748 571141463 /nfs/dbraw/zinc/14/14/63/571141463.db2.gz GDBAYEYXRHSQND-UHFFFAOYSA-N 0 1 358.470 5.628 50 0 FKAAMN C[C@H]1CCc2c(C#N)c(N=CCC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000000983954 524431982 /nfs/dbraw/zinc/43/19/82/524431982.db2.gz NZZPUJHYIXENNG-WOLCWHLNSA-N 0 1 372.493 5.706 50 0 FKAAMN Cc1cc2nc(SCc3ccccc3F)[nH]c2c(Br)c1C ZINC000001004213 570470969 /nfs/dbraw/zinc/47/09/69/570470969.db2.gz BAVBEVSUEHHBSZ-UHFFFAOYSA-N 0 1 365.271 5.374 50 0 FKAAMN COc1cc(OC)cc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000001023226 219354354 /nfs/dbraw/zinc/35/43/54/219354354.db2.gz NKJWQYMWLIYDAM-UHFFFAOYSA-N 0 1 374.415 5.567 50 0 FKAAMN CC(C)(C)N1C[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000001023955 571159879 /nfs/dbraw/zinc/15/98/79/571159879.db2.gz XMFSKUXGHWGRAM-DNQXCXABSA-N 0 1 369.508 6.008 50 0 FKAAMN Nc1sc(-c2ccccc2)cc1-c1n[nH]c(=S)n1-c1ccc(F)cc1 ZINC000001036210 210305315 /nfs/dbraw/zinc/30/53/15/210305315.db2.gz XXOTZIAHKUIJDV-UHFFFAOYSA-N 0 1 368.462 5.047 50 0 FKAAMN Cc1oc2ccccc2c1Cc1n[nH]c(=S)n1-c1ccc(C)c(Cl)c1 ZINC000001045998 570476428 /nfs/dbraw/zinc/47/64/28/570476428.db2.gz XMTKXLJTJRDZSP-UHFFFAOYSA-N 0 1 369.877 5.537 50 0 FKAAMN COc1ccc(CNc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1 ZINC000001085813 210314469 /nfs/dbraw/zinc/31/44/69/210314469.db2.gz HUWNOIRZPFPPJT-UHFFFAOYSA-N 0 1 357.457 5.014 50 0 FKAAMN Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001116266 219372292 /nfs/dbraw/zinc/37/22/92/219372292.db2.gz ZHSZYUCOVBKQAL-UHFFFAOYSA-N 0 1 358.290 5.226 50 0 FKAAMN COc1ccc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(C)cc3)[nH]2)c1 ZINC000001156587 219382514 /nfs/dbraw/zinc/38/25/14/219382514.db2.gz CCYGMQFICIWSRC-UHFFFAOYSA-N 0 1 370.452 5.736 50 0 FKAAMN Fc1ccccc1-c1nc(-c2cccs2)c(-c2cnc3ccccc3c2)[nH]1 ZINC000001156693 219382847 /nfs/dbraw/zinc/38/28/47/219382847.db2.gz NCUNTPPHOOXDKF-UHFFFAOYSA-N 0 1 371.440 6.160 50 0 FKAAMN COc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000001156721 210325624 /nfs/dbraw/zinc/32/56/24/210325624.db2.gz BVNVQOVOPPNJOR-UHFFFAOYSA-N 0 1 356.425 5.433 50 0 FKAAMN COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2C)c(O)c1C ZINC000001162731 571279521 /nfs/dbraw/zinc/27/95/21/571279521.db2.gz XOTLKSGTSNQJHB-UHFFFAOYSA-N 0 1 362.351 5.094 50 0 FKAAMN Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1Cl ZINC000001172238 210328536 /nfs/dbraw/zinc/32/85/36/210328536.db2.gz RUOABQFZQLOWDZ-UHFFFAOYSA-N 0 1 364.681 5.064 50 0 FKAAMN Cc1cc(-c2ccccc2)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1 ZINC000001189057 570490677 /nfs/dbraw/zinc/49/06/77/570490677.db2.gz MQMMRYQWZWEAAW-UHFFFAOYSA-N 0 1 355.445 5.064 50 0 FKAAMN O=C1C(=Nc2ccccc2)C[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000001199478 219388253 /nfs/dbraw/zinc/38/82/53/219388253.db2.gz BUOWKURKBRAOQK-NRFANRHFSA-N 0 1 360.844 5.424 50 0 FKAAMN O=C1C(=Nc2ccccc2)C[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000001199480 210333733 /nfs/dbraw/zinc/33/37/33/210333733.db2.gz BUOWKURKBRAOQK-OAQYLSRUSA-N 0 1 360.844 5.424 50 0 FKAAMN c1coc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000001214251 210334764 /nfs/dbraw/zinc/33/47/64/210334764.db2.gz GITPXJMDVVLWFY-UHFFFAOYSA-N 0 1 362.432 6.671 50 0 FKAAMN Cc1ccc(N=C2C[C@@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001225603 570495399 /nfs/dbraw/zinc/49/53/99/570495399.db2.gz ONCQDEJVEVRUNG-QHCPKHFHSA-N 0 1 354.453 5.387 50 0 FKAAMN Cc1ccc(N=C2C[C@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001225604 570495198 /nfs/dbraw/zinc/49/51/98/570495198.db2.gz ONCQDEJVEVRUNG-HSZRJFAPSA-N 0 1 354.453 5.387 50 0 FKAAMN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)ccc1O ZINC000001250296 571044784 /nfs/dbraw/zinc/04/47/84/571044784.db2.gz FUPVNCQJXDYZTF-UHFFFAOYSA-N 0 1 374.223 5.744 50 0 FKAAMN Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccc(F)c2)C1 ZINC000001294013 219394245 /nfs/dbraw/zinc/39/42/45/219394245.db2.gz QBPLTGGRWXBFQE-UHFFFAOYSA-N 0 1 364.807 5.830 50 0 FKAAMN Cc1cccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3O)C2)c1 ZINC000001297183 571048226 /nfs/dbraw/zinc/04/82/26/571048226.db2.gz JGYFHFOQHOTXSP-UHFFFAOYSA-N 0 1 360.844 5.999 50 0 FKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)cc1Cl ZINC000001297254 571048357 /nfs/dbraw/zinc/04/83/57/571048357.db2.gz OJWTXXRRZYMRKP-UHFFFAOYSA-N 0 1 371.676 5.498 50 0 FKAAMN Oc1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccs2)C1 ZINC000001297651 571048369 /nfs/dbraw/zinc/04/83/69/571048369.db2.gz KWPRXHLHSPECML-UHFFFAOYSA-N 0 1 352.846 5.752 50 0 FKAAMN O=C1C(Nc2ccc(F)cc2F)=C2CCCC=C2N1c1ccc(F)cc1F ZINC000001423031 571073380 /nfs/dbraw/zinc/07/33/80/571073380.db2.gz XBSAZRDUCHLTDU-UHFFFAOYSA-N 0 1 374.337 5.024 50 0 FKAAMN O=C1C(Nc2ccccc2F)=C2CCCCC=C2N1c1ccccc1F ZINC000001424271 571073715 /nfs/dbraw/zinc/07/37/15/571073715.db2.gz QPILRGQKSNQKGG-UHFFFAOYSA-N 0 1 352.384 5.136 50 0 FKAAMN CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 ZINC000001444556 570500234 /nfs/dbraw/zinc/50/02/34/570500234.db2.gz NQPDXQQQCQDHHW-UHFFFAOYSA-N 0 1 359.665 6.037 50 0 aggregator,world FKAAMN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000001456428 204008093 /nfs/dbraw/zinc/00/80/93/204008093.db2.gz IKEVOFQJMADUNN-UHFFFAOYSA-N 0 1 360.388 5.264 50 0 FKAAMN CC(C)Oc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000001765358 571168287 /nfs/dbraw/zinc/16/82/87/571168287.db2.gz QSEPBBQVDLAYGZ-UHFFFAOYSA-N 0 1 372.424 5.582 50 0 FKAAMN CC(C)Oc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000001828187 571197448 /nfs/dbraw/zinc/19/74/48/571197448.db2.gz HHSCQALDELHQOB-UHFFFAOYSA-N 0 1 372.424 5.582 50 0 FKAAMN Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c(Cl)c1 ZINC000001830389 204020986 /nfs/dbraw/zinc/02/09/86/204020986.db2.gz 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358.529 6.578 50 0 FKAAMN CC1CCN(c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)CC1 ZINC000004541722 132306119 /nfs/dbraw/zinc/30/61/19/132306119.db2.gz LIXDQLBINDHSRE-UHFFFAOYSA-N 0 1 358.529 6.436 50 0 FKAAMN CC(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555579 570834790 /nfs/dbraw/zinc/83/47/90/570834790.db2.gz BOVAWBRJQMNTHF-IBGZPJMESA-N 0 1 369.534 5.067 50 0 FKAAMN CC(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555580 204147050 /nfs/dbraw/zinc/14/70/50/204147050.db2.gz BOVAWBRJQMNTHF-LJQANCHMSA-N 0 1 369.534 5.067 50 0 FKAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C)C2)cc1 ZINC000004564901 570836334 /nfs/dbraw/zinc/83/63/34/570836334.db2.gz ZKJMPYIDMQIGNU-GCJKJVERSA-N 0 1 350.506 5.222 50 0 FKAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C)C2)cc1 ZINC000004564902 207029323 /nfs/dbraw/zinc/02/93/23/207029323.db2.gz ZKJMPYIDMQIGNU-AVRDEDQJSA-N 0 1 350.506 5.222 50 0 FKAAMN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000004565584 204147717 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570598758 /nfs/dbraw/zinc/59/87/58/570598758.db2.gz RKXJBDWFYJWJKP-UHFFFAOYSA-N 0 1 352.275 5.328 50 0 FKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc(F)c1 ZINC000004678191 204153574 /nfs/dbraw/zinc/15/35/74/204153574.db2.gz ASXPXRMMTQEOMC-UHFFFAOYSA-N 0 1 350.224 5.145 50 0 FKAAMN Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccccc1F ZINC000004678261 204154557 /nfs/dbraw/zinc/15/45/57/204154557.db2.gz WIYRKSYICANAQK-UHFFFAOYSA-N 0 1 350.224 5.145 50 0 FKAAMN Cn1c(-c2cccc(Cl)c2)cnc1NCc1c(F)cccc1Cl ZINC000004678354 571158455 /nfs/dbraw/zinc/15/84/55/571158455.db2.gz FFASHYOVMWBCJO-UHFFFAOYSA-N 0 1 350.224 5.145 50 0 FKAAMN Cc1ccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 ZINC000004678355 571158557 /nfs/dbraw/zinc/15/85/57/571158557.db2.gz ZXKBTCMLAAMREC-UHFFFAOYSA-N 0 1 369.468 5.800 50 0 FKAAMN Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(F)cc1 ZINC000004678395 571158493 /nfs/dbraw/zinc/15/84/93/571158493.db2.gz SFIUDUWLWIJZRZ-UHFFFAOYSA-N 0 1 357.432 5.505 50 0 FKAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 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Fc1ccccc1COc1ccc(Cl)cc1CNCc1cccs1 ZINC000016450030 207586529 /nfs/dbraw/zinc/58/65/29/207586529.db2.gz VPCVKDJNZRPDLC-UHFFFAOYSA-N 0 1 361.869 5.409 50 0 FKAAMN Clc1ccc(COc2ccccc2CNCc2ccccc2)c(Cl)c1 ZINC000016480155 570857239 /nfs/dbraw/zinc/85/72/39/570857239.db2.gz UQBSKYZXLSUCBM-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000016480564 204636055 /nfs/dbraw/zinc/63/60/55/204636055.db2.gz CQGJLLDMSJWGRE-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000016677757 211166783 /nfs/dbraw/zinc/16/67/83/211166783.db2.gz GLAWGAJBLDJJOM-QHCPKHFHSA-N 0 1 360.501 5.242 50 0 FKAAMN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000016677758 211166233 /nfs/dbraw/zinc/16/62/33/211166233.db2.gz GLAWGAJBLDJJOM-HSZRJFAPSA-N 0 1 360.501 5.242 50 0 FKAAMN CC[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695695 570861156 /nfs/dbraw/zinc/86/11/56/570861156.db2.gz MARXIEPXUFOSFT-UYAOXDASSA-N 0 1 361.482 5.260 50 0 FKAAMN CC[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000016695696 570860749 /nfs/dbraw/zinc/86/07/49/570860749.db2.gz MARXIEPXUFOSFT-AZUAARDMSA-N 0 1 361.482 5.260 50 0 FKAAMN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCc1ccccc1 ZINC000017074971 570866949 /nfs/dbraw/zinc/86/69/49/570866949.db2.gz QBVYRWDTLRSUHT-UHFFFAOYSA-N 0 1 364.495 5.030 50 0 FKAAMN Cc1ccc(Cn2c(=O)c3cc(-c4ccccc4)sc3[nH]c2=S)cc1 ZINC000017074972 570866957 /nfs/dbraw/zinc/86/69/57/570866957.db2.gz NOWKJFDHGNMPML-UHFFFAOYSA-N 0 1 364.495 5.144 50 0 FKAAMN O=c1c2ccccc2[nH]c(=S)n1CCC(c1ccccc1)c1ccccc1 ZINC000017076333 570867779 /nfs/dbraw/zinc/86/77/79/570867779.db2.gz FOLAQGAMETVQSJ-UHFFFAOYSA-N 0 1 372.493 5.281 50 0 FKAAMN Cc1c(Cl)cccc1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000017194815 211180487 /nfs/dbraw/zinc/18/04/87/211180487.db2.gz CZGGVGSLMDEFEM-UHFFFAOYSA-N 0 1 361.832 5.708 50 0 FKAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2cccc3ccccc32)n1 ZINC000017195303 220209968 /nfs/dbraw/zinc/20/99/68/220209968.db2.gz NIBQFDYASDVPDJ-UHFFFAOYSA-N 0 1 363.420 5.899 50 0 FKAAMN Clc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccco2)c1 ZINC000017309681 211184177 /nfs/dbraw/zinc/18/41/77/211184177.db2.gz YLUSYIRAIMSPBL-UHFFFAOYSA-N 0 1 363.848 5.076 50 0 FKAAMN Cc1ccc(C(=O)Nc2cccc(CNCc3cccc(Cl)c3)c2)cc1 ZINC000017310531 570748867 /nfs/dbraw/zinc/74/88/67/570748867.db2.gz KSTCZUFVHFXBGT-UHFFFAOYSA-N 0 1 364.876 5.191 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1ccccc1Cl ZINC000017314538 220213855 /nfs/dbraw/zinc/21/38/55/220213855.db2.gz GXMKOMDPFYHXLZ-MRXNPFEDSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1ccccc1Cl ZINC000017314540 220213775 /nfs/dbraw/zinc/21/37/75/220213775.db2.gz GXMKOMDPFYHXLZ-INIZCTEOSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1cccc(Cl)c1 ZINC000017314609 211184894 /nfs/dbraw/zinc/18/48/94/211184894.db2.gz DEXARCFNYFLGQR-OAHLLOKOSA-N 0 1 353.897 5.052 50 0 FKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1cccc(Cl)c1 ZINC000017314611 211184724 /nfs/dbraw/zinc/18/47/24/211184724.db2.gz DEXARCFNYFLGQR-HNNXBMFYSA-N 0 1 353.897 5.052 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1cccc(Cl)c1 ZINC000017314625 211184847 /nfs/dbraw/zinc/18/48/47/211184847.db2.gz JADZBAXKCRBADF-MRXNPFEDSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1cccc(Cl)c1 ZINC000017314627 220214279 /nfs/dbraw/zinc/21/42/79/220214279.db2.gz JADZBAXKCRBADF-INIZCTEOSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(Cl)cc1 ZINC000017315193 220213502 /nfs/dbraw/zinc/21/35/02/220213502.db2.gz OLGIOGQAKIOFOF-OAHLLOKOSA-N 0 1 353.897 5.052 50 0 FKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000017315196 571278993 /nfs/dbraw/zinc/27/89/93/571278993.db2.gz OLGIOGQAKIOFOF-HNNXBMFYSA-N 0 1 353.897 5.052 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1ccc(Cl)cc1 ZINC000017315218 570748911 /nfs/dbraw/zinc/74/89/11/570748911.db2.gz ZCXJWTDWQDNABK-MRXNPFEDSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000017315220 211185370 /nfs/dbraw/zinc/18/53/70/211185370.db2.gz ZCXJWTDWQDNABK-INIZCTEOSA-N 0 1 367.924 5.361 50 0 FKAAMN Cc1ccc([C@@H](C)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 ZINC000017319592 570749558 /nfs/dbraw/zinc/74/95/58/570749558.db2.gz OGQWQIYAMYCRBZ-LJQANCHMSA-N 0 1 371.484 5.351 50 0 FKAAMN Cc1ccc([C@H](C)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 ZINC000017319593 211185400 /nfs/dbraw/zinc/18/54/00/211185400.db2.gz OGQWQIYAMYCRBZ-IBGZPJMESA-N 0 1 371.484 5.351 50 0 FKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4)cc3)[nH]c2c1 ZINC000017441347 211186221 /nfs/dbraw/zinc/18/62/21/211186221.db2.gz OEOSEBFAZSNGNI-UHFFFAOYSA-N 0 1 373.481 5.269 50 0 aggregator FKAAMN Cc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000018004207 211187761 /nfs/dbraw/zinc/18/77/61/211187761.db2.gz FWMDNUAQWYKUOL-UHFFFAOYSA-N 0 1 358.466 5.513 50 0 FKAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1 ZINC000018220104 211196345 /nfs/dbraw/zinc/19/63/45/211196345.db2.gz IDDSVYCQIAZSAO-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN COc1ccc(C)cc1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000018245974 570816161 /nfs/dbraw/zinc/81/61/61/570816161.db2.gz HWDYBGKZMUDUKN-UHFFFAOYSA-N 0 1 357.413 5.063 50 0 FKAAMN CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000018936021 220232844 /nfs/dbraw/zinc/23/28/44/220232844.db2.gz HNYKNOLGUJLSEY-UHFFFAOYSA-N 0 1 361.894 5.147 50 0 FKAAMN CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000018936026 571124702 /nfs/dbraw/zinc/12/47/02/571124702.db2.gz JAAXCFQJUVRGPN-UHFFFAOYSA-N 0 1 361.894 5.147 50 0 FKAAMN Cc1ccc(-c2nc(CN3CC[C@@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225336 220242086 /nfs/dbraw/zinc/24/20/86/220242086.db2.gz YSUWCLJCQJFTHX-OAHLLOKOSA-N 0 1 356.466 5.149 50 0 FKAAMN Cc1ccc(-c2nc(CN3CC[C@H](c4ccccc4F)C3)c(C)o2)s1 ZINC000019225340 220240779 /nfs/dbraw/zinc/24/07/79/220240779.db2.gz YSUWCLJCQJFTHX-HNNXBMFYSA-N 0 1 356.466 5.149 50 0 FKAAMN Cc1cccc(-c2c[nH]nc2C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000019229320 570883118 /nfs/dbraw/zinc/88/31/18/570883118.db2.gz HXNRNKORWPXUHX-UHFFFAOYSA-N 0 1 367.443 5.043 50 0 FKAAMN CC[C@H](c1ccc(OC)cc1)N(C)CN(C)[C@H](CC)c1ccc(OC)cc1 ZINC000019321511 571160318 /nfs/dbraw/zinc/16/03/18/571160318.db2.gz YXAIRMNQLUEZSJ-DHIUTWEWSA-N 0 1 370.537 5.127 50 0 FKAAMN CC[C@@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323868 570885812 /nfs/dbraw/zinc/88/58/12/570885812.db2.gz YXAIRMNQLUEZSJ-GOTSBHOMSA-N 0 1 370.537 5.127 50 0 FKAAMN CC[C@H](c1ccc(OC)cc1)N(C)CN(C)[C@@H](CC)c1ccc(OC)cc1 ZINC000019323870 570885690 /nfs/dbraw/zinc/88/56/90/570885690.db2.gz YXAIRMNQLUEZSJ-ZRZAMGCNSA-N 0 1 370.537 5.127 50 0 FKAAMN Cc1c([C@@H](C)NCc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 ZINC000019773798 263376324 /nfs/dbraw/zinc/37/63/24/263376324.db2.gz YEFCREPTTUBRCZ-MRXNPFEDSA-N 0 1 374.513 5.155 50 0 FKAAMN Cc1c([C@H](C)NCc2cnc(-c3ccccc3)s2)cnn1-c1ccccc1 ZINC000019773800 263376396 /nfs/dbraw/zinc/37/63/96/263376396.db2.gz YEFCREPTTUBRCZ-INIZCTEOSA-N 0 1 374.513 5.155 50 0 FKAAMN CN(Cc1cc2cc(F)ccc2[nH]1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000019850218 523183712 /nfs/dbraw/zinc/18/37/12/523183712.db2.gz DJNLLPCLPDDPQN-UHFFFAOYSA-N 0 1 374.419 5.075 50 0 FKAAMN N[C@@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000019897259 220303383 /nfs/dbraw/zinc/30/33/83/220303383.db2.gz XYWOIRSXJAXQRI-LJQANCHMSA-N 0 1 373.776 5.648 50 0 FKAAMN N[C@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000019897260 570905835 /nfs/dbraw/zinc/90/58/35/570905835.db2.gz XYWOIRSXJAXQRI-IBGZPJMESA-N 0 1 373.776 5.648 50 0 FKAAMN Cc1occc1C(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000020103070 570909856 /nfs/dbraw/zinc/90/98/56/570909856.db2.gz LUIOLUMSBLQSBO-UHFFFAOYSA-N 0 1 351.793 5.037 50 0 FKAAMN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C)C2)cc1 ZINC000020108157 571327970 /nfs/dbraw/zinc/32/79/70/571327970.db2.gz ZKJMPYIDMQIGNU-PGRDOPGGSA-N 0 1 350.506 5.222 50 0 FKAAMN Cc1ccc2c(CN(Cc3ccccc3)Cc3ccccc3)cc(=O)oc2c1 ZINC000020446889 571329527 /nfs/dbraw/zinc/32/95/27/571329527.db2.gz OXNOQUFBLRVQSY-UHFFFAOYSA-N 0 1 369.464 5.304 50 0 FKAAMN Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 ZINC000020452708 524111273 /nfs/dbraw/zinc/11/12/73/524111273.db2.gz NIIGMQZXDDMXRL-GOSISDBHSA-N 0 1 367.443 5.043 50 0 FKAAMN Cc1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 ZINC000020452710 524111493 /nfs/dbraw/zinc/11/14/93/524111493.db2.gz NIIGMQZXDDMXRL-SFHVURJKSA-N 0 1 367.443 5.043 50 0 FKAAMN Cc1cccc(-c2c[nH]nc2C2CCN(Cc3cccc(F)c3F)CC2)c1 ZINC000020536084 524106928 /nfs/dbraw/zinc/10/69/28/524106928.db2.gz GJWSMMNVRRRCDR-UHFFFAOYSA-N 0 1 367.443 5.043 50 0 FKAAMN CCC/C=C/CN1CCC[C@@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781516 211296130 /nfs/dbraw/zinc/29/61/30/211296130.db2.gz MZCFZWOZKRWDAK-FYCOFBDGSA-N 0 1 373.522 5.098 50 0 FKAAMN CCC/C=C/CN1CCC[C@H]1c1ccc(C(=O)Nc2c(C)noc2C)s1 ZINC000020781519 570925195 /nfs/dbraw/zinc/92/51/95/570925195.db2.gz MZCFZWOZKRWDAK-MOEXGYKKSA-N 0 1 373.522 5.098 50 0 FKAAMN CCOc1ccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864923 220342408 /nfs/dbraw/zinc/34/24/08/220342408.db2.gz ZEUCKHDHJWGZFK-NRFANRHFSA-N 0 1 364.514 5.009 50 0 FKAAMN CCOc1ccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000020864925 220343053 /nfs/dbraw/zinc/34/30/53/220343053.db2.gz ZEUCKHDHJWGZFK-OAQYLSRUSA-N 0 1 364.514 5.009 50 0 FKAAMN CCOc1cccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864936 220342436 /nfs/dbraw/zinc/34/24/36/220342436.db2.gz HMFANTJFQWDUDB-NRFANRHFSA-N 0 1 364.514 5.009 50 0 FKAAMN CCOc1cccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864940 211298112 /nfs/dbraw/zinc/29/81/12/211298112.db2.gz HMFANTJFQWDUDB-OAQYLSRUSA-N 0 1 364.514 5.009 50 0 FKAAMN Cc1ccc(COc2ccc(CNCc3ccccc3Cl)cc2)cc1 ZINC000020873713 570926111 /nfs/dbraw/zinc/92/61/11/570926111.db2.gz XVTULYZCUAMLBB-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873930 526031450 /nfs/dbraw/zinc/03/14/50/526031450.db2.gz NDXYZJJWVOZWQM-IBGZPJMESA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccc(C)cc1 ZINC000020873932 526036658 /nfs/dbraw/zinc/03/66/58/526036658.db2.gz NDXYZJJWVOZWQM-LJQANCHMSA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccc(C)cc1 ZINC000020873982 526023376 /nfs/dbraw/zinc/02/33/76/526023376.db2.gz ZFUXTTOYFGKZLU-UHFFFAOYSA-N 0 1 365.448 5.012 50 0 FKAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccc(C)cc1 ZINC000020874015 526024527 /nfs/dbraw/zinc/02/45/27/526024527.db2.gz HMWAGWHKCLYENE-UHFFFAOYSA-N 0 1 361.485 5.181 50 0 FKAAMN Cc1ccc(COc2ccc3ccccc3c2CNCc2cccnc2)cc1 ZINC000020874174 524630266 /nfs/dbraw/zinc/63/02/66/524630266.db2.gz CBNVLQRYJMUBSN-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1ccc(COc2cccc(CNCc3ccccc3Cl)c2)cc1 ZINC000020874443 524630323 /nfs/dbraw/zinc/63/03/23/524630323.db2.gz PTKNJLTZXBTBDL-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Cc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)cc1 ZINC000020875068 524628823 /nfs/dbraw/zinc/62/88/23/524628823.db2.gz MZMDHUUMGAWGIH-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Cc1ccc(COc2ccc(Cl)cc2CN[C@H](C)c2ccccc2)cc1 ZINC000020875092 524629052 /nfs/dbraw/zinc/62/90/52/524629052.db2.gz MATXMCMDMRVTFW-GOSISDBHSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1ccc(COc2ccc(Cl)cc2CN[C@@H](C)c2ccccc2)cc1 ZINC000020875094 524628370 /nfs/dbraw/zinc/62/83/70/524628370.db2.gz MATXMCMDMRVTFW-SFHVURJKSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1ccc(COc2ccc(Cl)cc2CNCc2cccs2)cc1 ZINC000020875112 524628695 /nfs/dbraw/zinc/62/86/95/524628695.db2.gz RLSRYHIFWHNIQD-UHFFFAOYSA-N 0 1 357.906 5.579 50 0 FKAAMN Cc1ccc(COc2ccc(Cl)cc2CNCc2ccc(F)cc2)cc1 ZINC000020875157 524629227 /nfs/dbraw/zinc/62/92/27/524629227.db2.gz UQJIAQSBZHCSKX-UHFFFAOYSA-N 0 1 369.867 5.656 50 0 FKAAMN Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000020875201 524583056 /nfs/dbraw/zinc/58/30/56/524583056.db2.gz RPJFXYANURZOQM-UHFFFAOYSA-N 0 1 365.904 5.826 50 0 FKAAMN Cc1cc(-c2ccc(CNCc3ccccc3)o2)ccc1Br ZINC000020875727 526040030 /nfs/dbraw/zinc/04/00/30/526040030.db2.gz RFNBOJVIYMPQGC-UHFFFAOYSA-N 0 1 356.263 5.307 50 0 FKAAMN Cc1cc(-c2ccc(CN[C@H](C)c3ccccc3)o2)ccc1Br ZINC000020875748 526042373 /nfs/dbraw/zinc/04/23/73/526042373.db2.gz AUMRZJNBVBXHNU-OAHLLOKOSA-N 0 1 370.290 5.868 50 0 FKAAMN Cc1cc(-c2ccc(CN[C@@H](C)c3ccccc3)o2)ccc1Br ZINC000020875750 526042343 /nfs/dbraw/zinc/04/23/43/526042343.db2.gz AUMRZJNBVBXHNU-HNNXBMFYSA-N 0 1 370.290 5.868 50 0 FKAAMN Cc1cc(-c2ccc(CNCc3cccs3)o2)ccc1Br ZINC000020875768 526039000 /nfs/dbraw/zinc/03/90/00/526039000.db2.gz RCQNWGIATIWRLR-UHFFFAOYSA-N 0 1 362.292 5.369 50 0 FKAAMN Cc1cc(-c2ccc(CNCc3ccc(F)cc3)o2)ccc1Br ZINC000020875813 526039136 /nfs/dbraw/zinc/03/91/36/526039136.db2.gz DOZKWWGZNUBLNJ-UHFFFAOYSA-N 0 1 374.253 5.446 50 0 FKAAMN Cc1ccc(CNCc2ccc(-c3ccc(Br)c(C)c3)o2)cc1 ZINC000020875856 524584232 /nfs/dbraw/zinc/58/42/32/524584232.db2.gz PFDFXWDURSPEIK-UHFFFAOYSA-N 0 1 370.290 5.616 50 0 FKAAMN Cc1cc(Br)ccc1-c1ccc(CNCc2ccccc2)o1 ZINC000020875867 526161992 /nfs/dbraw/zinc/16/19/92/526161992.db2.gz IFVJBHQYXWKOGW-UHFFFAOYSA-N 0 1 356.263 5.307 50 0 FKAAMN Cc1cc(Br)ccc1-c1ccc(CN[C@H](C)c2ccccc2)o1 ZINC000020875887 526162586 /nfs/dbraw/zinc/16/25/86/526162586.db2.gz ZOPWMSKFJWQYOF-OAHLLOKOSA-N 0 1 370.290 5.868 50 0 FKAAMN Cc1cc(Br)ccc1-c1ccc(CN[C@@H](C)c2ccccc2)o1 ZINC000020875889 526163077 /nfs/dbraw/zinc/16/30/77/526163077.db2.gz ZOPWMSKFJWQYOF-HNNXBMFYSA-N 0 1 370.290 5.868 50 0 FKAAMN Cc1cc(Br)ccc1-c1ccc(CNCc2cccs2)o1 ZINC000020875906 526161913 /nfs/dbraw/zinc/16/19/13/526161913.db2.gz LTFAKDKATDPBSC-UHFFFAOYSA-N 0 1 362.292 5.369 50 0 FKAAMN Cc1cc(Br)ccc1-c1ccc(CNCc2ccc(F)cc2)o1 ZINC000020875943 526160391 /nfs/dbraw/zinc/16/03/91/526160391.db2.gz NCNJXBRKTXGRET-UHFFFAOYSA-N 0 1 374.253 5.446 50 0 FKAAMN Cc1ccc(CNCc2ccc(-c3ccc(Br)cc3C)o2)cc1 ZINC000020875979 524582349 /nfs/dbraw/zinc/58/23/49/524582349.db2.gz XGDJGFXBFJVYHF-UHFFFAOYSA-N 0 1 370.290 5.616 50 0 FKAAMN CCCOc1ccc(CNCc2ccccc2Cl)cc1Br ZINC000020925864 520369969 /nfs/dbraw/zinc/36/99/69/520369969.db2.gz XCAFBSRIDHETKZ-UHFFFAOYSA-N 0 1 368.702 5.181 50 0 FKAAMN CCCOc1c(Cl)cc(CNCc2ccccc2Cl)cc1Cl ZINC000020926286 520297012 /nfs/dbraw/zinc/29/70/12/520297012.db2.gz GBWJHXBPOSODBX-UHFFFAOYSA-N 0 1 358.696 5.725 50 0 FKAAMN CCCOc1c(Cl)cc(CNCc2ccccc2OC)cc1Cl ZINC000020926587 520296630 /nfs/dbraw/zinc/29/66/30/520296630.db2.gz LZIXYNIDCUZJTP-UHFFFAOYSA-N 0 1 354.277 5.081 50 0 FKAAMN CCCOc1c(Cl)cc(Cl)cc1CNCc1ccc(OC)cc1 ZINC000020930299 520297289 /nfs/dbraw/zinc/29/72/89/520297289.db2.gz LPWKYBWIIGUOHV-UHFFFAOYSA-N 0 1 354.277 5.081 50 0 FKAAMN CCCOc1c(Cl)cc(CNCc2ccccc2Cl)cc1OC ZINC000020931414 520297373 /nfs/dbraw/zinc/29/73/73/520297373.db2.gz DJTFXLSFENEPGG-UHFFFAOYSA-N 0 1 354.277 5.081 50 0 FKAAMN CCCOc1c(Cl)cc(CNCc2ccccc2Cl)cc1OCC ZINC000020931858 520296545 /nfs/dbraw/zinc/29/65/45/520296545.db2.gz QCNANPGHOTZINM-UHFFFAOYSA-N 0 1 368.304 5.471 50 0 FKAAMN CCCCOc1ccccc1-c1cc(-c2nc(-c3cccc(C)c3)no2)[nH]n1 ZINC000020986678 520909768 /nfs/dbraw/zinc/90/97/68/520909768.db2.gz MHVPETAICKCKJR-UHFFFAOYSA-N 0 1 374.444 5.281 50 0 FKAAMN Fc1ccc([C@@H](NC2CCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988582 211301052 /nfs/dbraw/zinc/30/10/52/211301052.db2.gz YENYWPUAEYWSIB-HXUWFJFHSA-N 0 1 365.452 5.278 50 0 FKAAMN Fc1ccc([C@H](NC2CCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988586 211302011 /nfs/dbraw/zinc/30/20/11/211302011.db2.gz YENYWPUAEYWSIB-FQEVSTJZSA-N 0 1 365.452 5.278 50 0 FKAAMN CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000021362587 571334290 /nfs/dbraw/zinc/33/42/90/571334290.db2.gz OXZOMYDIHNJRJP-UHFFFAOYSA-N 0 1 371.440 5.189 50 0 FKAAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(OCc2ccccc2)c1 ZINC000021720131 570933452 /nfs/dbraw/zinc/93/34/52/570933452.db2.gz QCTQCUFSUQGRPC-QFIPXVFZSA-N 0 1 362.473 5.208 50 0 FKAAMN Cc1noc(C)c1[C@H]1CCCN1Cc1cccc(OCc2ccccc2)c1 ZINC000021720133 211322867 /nfs/dbraw/zinc/32/28/67/211322867.db2.gz QCTQCUFSUQGRPC-JOCHJYFZSA-N 0 1 362.473 5.208 50 0 FKAAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720218 211323821 /nfs/dbraw/zinc/32/38/21/211323821.db2.gz DNSNPEIOCXNZSA-QFIPXVFZSA-N 0 1 362.473 5.208 50 0 FKAAMN Cc1noc(C)c1[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000021720220 570933308 /nfs/dbraw/zinc/93/33/08/570933308.db2.gz DNSNPEIOCXNZSA-JOCHJYFZSA-N 0 1 362.473 5.208 50 0 FKAAMN CCOc1cc(CN2CCC[C@@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720795 220364327 /nfs/dbraw/zinc/36/43/27/220364327.db2.gz GVLLFSJFEZSUGE-GOSISDBHSA-N 0 1 372.509 5.068 50 0 FKAAMN CCOc1cc(CN2CCC[C@H]2c2c(C)noc2CC)ccc1OC(C)C ZINC000021720797 206361389 /nfs/dbraw/zinc/36/13/89/206361389.db2.gz GVLLFSJFEZSUGE-SFHVURJKSA-N 0 1 372.509 5.068 50 0 FKAAMN Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)cc1 ZINC000022073925 570939069 /nfs/dbraw/zinc/93/90/69/570939069.db2.gz PDUZYYWJNDTIGJ-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN Fc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)cc1 ZINC000022073930 570939002 /nfs/dbraw/zinc/93/90/02/570939002.db2.gz COYAOFJJHONBCW-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccccc1 ZINC000022073933 570939339 /nfs/dbraw/zinc/93/93/39/570939339.db2.gz VJJIYCCYSKFTPK-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN CCCCCCOc1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022078425 570939333 /nfs/dbraw/zinc/93/93/33/570939333.db2.gz FTFVBXGIVHJRDK-HSZRJFAPSA-N 0 1 352.522 5.768 50 0 FKAAMN CCCCCCOc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1 ZINC000022078429 211337653 /nfs/dbraw/zinc/33/76/53/211337653.db2.gz FTFVBXGIVHJRDK-QHCPKHFHSA-N 0 1 352.522 5.768 50 0 FKAAMN CCCCN(CCCC)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000022289102 220382317 /nfs/dbraw/zinc/38/23/17/220382317.db2.gz MFLRSWOWPIQLAJ-NIEGGPFSSA-N 0 1 372.534 5.139 50 0 FKAAMN FC(F)Oc1ccccc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000022312951 220382666 /nfs/dbraw/zinc/38/26/66/220382666.db2.gz CZGLUBNJONIMIO-UHFFFAOYSA-N 0 1 367.808 5.019 50 0 FKAAMN Fc1ccc(Cc2nc(CN3CCCCCCC3)cs2)c(Cl)c1 ZINC000022351525 211348687 /nfs/dbraw/zinc/34/86/87/211348687.db2.gz SCJJDJBDDWQXIK-UHFFFAOYSA-N 0 1 352.906 5.293 50 0 FKAAMN C(=C/c1ccccc1)\CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022586420 571071572 /nfs/dbraw/zinc/07/15/72/571071572.db2.gz RRVZXUUVUWKITG-JXMROGBWSA-N 0 1 368.524 5.185 50 0 FKAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000022661218 220394352 /nfs/dbraw/zinc/39/43/52/220394352.db2.gz IKRVCACJJLVFQI-UHFFFAOYSA-N 0 1 359.473 5.006 50 0 FKAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000022666776 220394311 /nfs/dbraw/zinc/39/43/11/220394311.db2.gz WTDYCUMNXJRUMV-UHFFFAOYSA-N 0 1 367.880 5.269 50 0 FKAAMN Clc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000022852731 570694561 /nfs/dbraw/zinc/69/45/61/570694561.db2.gz LCFUPXYGWYPSEN-CQSZACIVSA-N 0 1 360.288 5.249 50 0 FKAAMN Clc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1Cl ZINC000022852734 570694824 /nfs/dbraw/zinc/69/48/24/570694824.db2.gz LCFUPXYGWYPSEN-AWEZNQCLSA-N 0 1 360.288 5.249 50 0 FKAAMN CC(C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023304181 570471430 /nfs/dbraw/zinc/47/14/30/570471430.db2.gz IUXMVAJNNXJLRG-UHFFFAOYSA-N 0 1 374.271 5.189 50 0 FKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1)c1ccccc1 ZINC000023331448 570536289 /nfs/dbraw/zinc/53/62/89/570536289.db2.gz RJJITGCRTRDIEB-QGZVFWFLSA-N 0 1 367.452 5.235 50 0 FKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1)c1ccccc1 ZINC000023331450 570536266 /nfs/dbraw/zinc/53/62/66/570536266.db2.gz RJJITGCRTRDIEB-KRWDZBQOSA-N 0 1 367.452 5.235 50 0 FKAAMN COc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4O)oc3c2)cc1C ZINC000023433840 570540197 /nfs/dbraw/zinc/54/01/97/570540197.db2.gz CNDDPPRLLRVPFR-UHFFFAOYSA-N 0 1 363.388 5.632 50 0 FKAAMN C[C@@H](NCc1c(-c2ccccc2)nc2ccccn21)c1ccccc1Cl ZINC000024969782 570987290 /nfs/dbraw/zinc/98/72/90/570987290.db2.gz SUITZTLUSMIZRI-MRXNPFEDSA-N 0 1 361.876 5.506 50 0 FKAAMN C[C@H](NCc1c(-c2ccccc2)nc2ccccn21)c1ccccc1Cl ZINC000024969786 570987379 /nfs/dbraw/zinc/98/73/79/570987379.db2.gz SUITZTLUSMIZRI-INIZCTEOSA-N 0 1 361.876 5.506 50 0 FKAAMN Cc1noc(C)c1COc1ccc(CN[C@H](C)c2ccccc2Cl)cc1 ZINC000025359273 570994955 /nfs/dbraw/zinc/99/49/55/570994955.db2.gz 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/nfs/dbraw/zinc/03/20/39/571032039.db2.gz RONYRURFIVQCRN-UHFFFAOYSA-N 0 1 369.424 5.005 50 0 FKAAMN Clc1ccccc1Cn1cc(CNCc2ccco2)c2ccccc21 ZINC000028428352 571032604 /nfs/dbraw/zinc/03/26/04/571032604.db2.gz HTEVJTATXLUPTE-UHFFFAOYSA-N 0 1 350.849 5.226 50 0 FKAAMN Cc1ccc2cc(CSc3n[nH]c(C(C)(C)C)n3)c(Cl)nc2c1C ZINC000028855476 571035092 /nfs/dbraw/zinc/03/50/92/571035092.db2.gz KMRONAJWWSDMSL-UHFFFAOYSA-N 0 1 360.914 5.213 50 0 FKAAMN Cc1ccc2cc(CSc3nc(C(C)(C)C)n[nH]3)c(Cl)nc2c1C ZINC000028855476 571035088 /nfs/dbraw/zinc/03/50/88/571035088.db2.gz KMRONAJWWSDMSL-UHFFFAOYSA-N 0 1 360.914 5.213 50 0 FKAAMN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cn[nH]c1-c1ccccc1 ZINC000029112849 571036858 /nfs/dbraw/zinc/03/68/58/571036858.db2.gz FIVXEGUQUNIDDI-UHFFFAOYSA-N 0 1 354.413 5.073 50 0 FKAAMN CN(CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029482593 571040369 /nfs/dbraw/zinc/04/03/69/571040369.db2.gz KCKZKMSBPQAGKU-JOCHJYFZSA-N 0 1 372.468 5.037 50 0 FKAAMN CN(CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029482595 571040419 /nfs/dbraw/zinc/04/04/19/571040419.db2.gz KCKZKMSBPQAGKU-QFIPXVFZSA-N 0 1 372.468 5.037 50 0 FKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000029484045 571040477 /nfs/dbraw/zinc/04/04/77/571040477.db2.gz HTPSAVZYBUWONZ-JOCHJYFZSA-N 0 1 364.533 5.491 50 0 FKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000029484048 571040445 /nfs/dbraw/zinc/04/04/45/571040445.db2.gz HTPSAVZYBUWONZ-QFIPXVFZSA-N 0 1 364.533 5.491 50 0 FKAAMN Cc1[nH]c(SCc2cc(-c3ccccc3)no2)nc1Cc1ccccc1 ZINC000029866394 571044284 /nfs/dbraw/zinc/04/42/84/571044284.db2.gz RRASBOTZGMKOPG-UHFFFAOYSA-N 0 1 361.470 5.256 50 0 FKAAMN C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 ZINC000030545619 571048195 /nfs/dbraw/zinc/04/81/95/571048195.db2.gz DGJINWLLOGLFFH-QGZVFWFLSA-N 0 1 358.441 5.258 50 0 FKAAMN C[C@H](NCc1cccc(OCc2ccccn2)c1)c1cc2ccccc2o1 ZINC000030545620 208002799 /nfs/dbraw/zinc/00/27/99/208002799.db2.gz DGJINWLLOGLFFH-KRWDZBQOSA-N 0 1 358.441 5.258 50 0 FKAAMN 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350.325 5.628 50 0 FKAAMN Brc1cccc(CN2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087180 571062058 /nfs/dbraw/zinc/06/20/58/571062058.db2.gz WQAJJQLQDWCGGU-MRXNPFEDSA-N 0 1 350.325 5.628 50 0 FKAAMN Brc1cccc(CN2CCCCC[C@H]2c2cccs2)c1 ZINC000033087181 571062086 /nfs/dbraw/zinc/06/20/86/571062086.db2.gz WQAJJQLQDWCGGU-INIZCTEOSA-N 0 1 350.325 5.628 50 0 FKAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000033328620 571235284 /nfs/dbraw/zinc/23/52/84/571235284.db2.gz TVFUDPMIRULJJM-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)[nH]c2c1 ZINC000033328630 571235134 /nfs/dbraw/zinc/23/51/34/571235134.db2.gz KBIZCOYYMFMHBH-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1ccc(/C=C2/CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(C)cc2)cc1 ZINC000033357559 208089620 /nfs/dbraw/zinc/08/96/20/208089620.db2.gz CPCCYTXCYNMEGO-QFXXMJIKSA-N 0 1 368.484 5.084 50 0 FKAAMN Clc1ccc(-c2n[nH]c(SCc3cccc4ccccc43)n2)cc1 ZINC000033396640 570521664 /nfs/dbraw/zinc/52/16/64/570521664.db2.gz ZBCQPNBLFRSLBQ-UHFFFAOYSA-N 0 1 351.862 5.571 50 0 FKAAMN Oc1c(Cl)cc(Cl)c2ccc(/C=C\c3ccc4c(c3)OCO4)nc12 ZINC000033579625 204971889 /nfs/dbraw/zinc/97/18/89/204971889.db2.gz SSLATJAKRCCSGL-IWQZZHSRSA-N 0 1 360.196 5.146 50 0 FKAAMN Cn1ccnc1-c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000033632101 570572271 /nfs/dbraw/zinc/57/22/71/570572271.db2.gz WBDRVSJQJSNKSV-UHFFFAOYSA-N 0 1 368.362 5.163 50 0 FKAAMN CN(Cc1ccccc1)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000034670289 570527101 /nfs/dbraw/zinc/52/71/01/570527101.db2.gz KDEWNARIZUXXRZ-UHFFFAOYSA-N 0 1 356.391 5.399 50 0 FKAAMN CN(Cc1ccccc1)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000034670337 570527077 /nfs/dbraw/zinc/52/70/77/570527077.db2.gz XKOHPILAXIBOMN-UHFFFAOYSA-N 0 1 357.284 5.687 50 0 FKAAMN CN(Cc1ccccc1)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000034670374 570527122 /nfs/dbraw/zinc/52/71/22/570527122.db2.gz GQISWGZOWQXFNX-UHFFFAOYSA-N 0 1 364.492 6.048 50 0 FKAAMN Cc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034682925 570532207 /nfs/dbraw/zinc/53/22/07/570532207.db2.gz TWMNWVSMIONDGG-UHFFFAOYSA-N 0 1 370.562 5.100 50 0 FKAAMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682926 570532310 /nfs/dbraw/zinc/53/23/10/570532310.db2.gz DGTTVVRPLWSOPU-UHFFFAOYSA-N 0 1 370.924 5.056 50 0 FKAAMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682929 570532347 /nfs/dbraw/zinc/53/23/47/570532347.db2.gz HJLITKAXCLVGIC-UHFFFAOYSA-N 0 1 370.924 5.056 50 0 FKAAMN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034683014 570532371 /nfs/dbraw/zinc/53/23/71/570532371.db2.gz MZFMCBMIDGHJJT-UHFFFAOYSA-N 0 1 370.924 5.056 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000034793664 208109730 /nfs/dbraw/zinc/10/97/30/208109730.db2.gz BOSKXZHSEQYGGI-UHFFFAOYSA-N 0 1 372.255 5.513 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)OCc1ccccc1 ZINC000034793695 570557605 /nfs/dbraw/zinc/55/76/05/570557605.db2.gz NMIPPSYMBBSOTG-UHFFFAOYSA-N 0 1 367.836 5.356 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000034793698 570557585 /nfs/dbraw/zinc/55/75/85/570557585.db2.gz VCRGBHHMVSAEJD-UHFFFAOYSA-N 0 1 372.255 5.513 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000034793705 570557454 /nfs/dbraw/zinc/55/74/54/570557454.db2.gz ZFAMVDDHEUJSSD-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000034793707 570557528 /nfs/dbraw/zinc/55/75/28/570557528.db2.gz CQCHKWOKMZFTPT-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1c(F)cccc1F ZINC000034793712 570557458 /nfs/dbraw/zinc/55/74/58/570557458.db2.gz VRHDPGBUIONDOR-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000034794327 570557532 /nfs/dbraw/zinc/55/75/32/570557532.db2.gz IESQOBOIKTYDJX-UHFFFAOYSA-N 0 1 372.255 5.513 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)OCc1ccccc1 ZINC000034794360 570557945 /nfs/dbraw/zinc/55/79/45/570557945.db2.gz MSFSSGVYNADGQZ-UHFFFAOYSA-N 0 1 367.836 5.356 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000034794365 570557827 /nfs/dbraw/zinc/55/78/27/570557827.db2.gz VAJWYMSRVQSMPX-UHFFFAOYSA-N 0 1 372.255 5.513 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000034794371 570557992 /nfs/dbraw/zinc/55/79/92/570557992.db2.gz ZMTLQULDAXACQY-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000034794373 570557905 /nfs/dbraw/zinc/55/79/05/570557905.db2.gz ASZQBASPWVFCQI-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000034794376 570557801 /nfs/dbraw/zinc/55/78/01/570557801.db2.gz CRHJHUSFIJCTHL-UHFFFAOYSA-N 0 1 373.790 5.138 50 0 FKAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)OCc1ccccc1 ZINC000034794672 570557837 /nfs/dbraw/zinc/55/78/37/570557837.db2.gz XAHWKZCGFLUDMW-UHFFFAOYSA-N 0 1 355.825 5.041 50 0 FKAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034794676 570557792 /nfs/dbraw/zinc/55/77/92/570557792.db2.gz USKYRLACPAAHMY-UHFFFAOYSA-N 0 1 360.244 5.198 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1 ZINC000034794688 570557866 /nfs/dbraw/zinc/55/78/66/570557866.db2.gz LNLLUFCURGFNPB-UHFFFAOYSA-N 0 1 357.816 5.074 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1F ZINC000034794704 570557930 /nfs/dbraw/zinc/55/79/30/570557930.db2.gz NXWSZAMVOWUWSD-UHFFFAOYSA-N 0 1 357.816 5.074 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cccc(F)c1 ZINC000034794706 570557951 /nfs/dbraw/zinc/55/79/51/570557951.db2.gz YQZMMDVFYDOJAJ-UHFFFAOYSA-N 0 1 357.816 5.074 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034794715 570557897 /nfs/dbraw/zinc/55/78/97/570557897.db2.gz KWUADTYFPCWDAG-UHFFFAOYSA-N 0 1 374.271 5.588 50 0 FKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2Cl)c(C)c1 ZINC000034794827 208110036 /nfs/dbraw/zinc/11/00/36/208110036.db2.gz HEPQIWZBVDTGFQ-UHFFFAOYSA-N 0 1 365.864 5.477 50 0 FKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000034794831 570557933 /nfs/dbraw/zinc/55/79/33/570557933.db2.gz SZARADYEBHNLFX-UHFFFAOYSA-N 0 1 365.864 5.477 50 0 FKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C)cc1C)c1ccccc1 ZINC000034794846 570557962 /nfs/dbraw/zinc/55/79/62/570557962.db2.gz YKWYCYGQLBJKCW-IBGZPJMESA-N 0 1 373.500 5.703 50 0 FKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C)cc1C)c1ccccc1 ZINC000034794848 570558036 /nfs/dbraw/zinc/55/80/36/570558036.db2.gz YKWYCYGQLBJKCW-LJQANCHMSA-N 0 1 373.500 5.703 50 0 FKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccc(Cl)c2)c(C)c1 ZINC000034794867 570557916 /nfs/dbraw/zinc/55/79/16/570557916.db2.gz LBKZCDCBJVWUHC-UHFFFAOYSA-N 0 1 365.864 5.477 50 0 FKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(F)cc2F)c(C)c1 ZINC000034794873 570557885 /nfs/dbraw/zinc/55/78/85/570557885.db2.gz OTABQVCAMMFDRI-UHFFFAOYSA-N 0 1 367.399 5.101 50 0 FKAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000034794875 208108446 /nfs/dbraw/zinc/10/84/46/208108446.db2.gz PTSVPJYNHQYQGL-UHFFFAOYSA-N 0 1 367.399 5.101 50 0 FKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccccc1 ZINC000034795041 570558216 /nfs/dbraw/zinc/55/82/16/570558216.db2.gz ZBHGNQJQBMROMG-SFHVURJKSA-N 0 1 363.436 5.226 50 0 FKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccccc1 ZINC000034795043 208110163 /nfs/dbraw/zinc/11/01/63/208110163.db2.gz ZBHGNQJQBMROMG-GOSISDBHSA-N 0 1 363.436 5.226 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccccc1Cl ZINC000034795078 570558247 /nfs/dbraw/zinc/55/82/47/570558247.db2.gz GXDDSSWXYXHPKA-UHFFFAOYSA-N 0 1 357.816 5.074 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034795097 570558255 /nfs/dbraw/zinc/55/82/55/570558255.db2.gz RYCXFMIFZSUSKL-SFHVURJKSA-N 0 1 365.452 5.301 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034795099 570558380 /nfs/dbraw/zinc/55/83/80/570558380.db2.gz RYCXFMIFZSUSKL-GOSISDBHSA-N 0 1 365.452 5.301 50 0 FKAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034795120 570558430 /nfs/dbraw/zinc/55/84/30/570558430.db2.gz JSXNXYHYRLHIFL-UHFFFAOYSA-N 0 1 357.816 5.074 50 0 FKAAMN Cc1n[nH]c(CCc2ccccc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034795286 208109808 /nfs/dbraw/zinc/10/98/08/208109808.db2.gz HPHMZCAZGIHEGZ-UHFFFAOYSA-N 0 1 374.271 5.062 50 0 FKAAMN CC(C)(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000034795547 570558447 /nfs/dbraw/zinc/55/84/47/570558447.db2.gz XMOUCBJVNUFOGQ-UHFFFAOYSA-N 0 1 365.399 5.348 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000034795554 570558347 /nfs/dbraw/zinc/55/83/47/570558347.db2.gz SVUSTGHVVXFUIP-UHFFFAOYSA-N 0 1 363.383 5.102 50 0 FKAAMN CCc1n[nH]c(-c2ccc(F)c(F)c2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034795674 208108670 /nfs/dbraw/zinc/10/86/70/208108670.db2.gz UOHJZXMFJUNCHS-HNNXBMFYSA-N 0 1 369.415 5.050 50 0 FKAAMN CCc1n[nH]c(-c2ccc(F)c(F)c2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034795675 570558228 /nfs/dbraw/zinc/55/82/28/570558228.db2.gz UOHJZXMFJUNCHS-OAHLLOKOSA-N 0 1 369.415 5.050 50 0 FKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2)cc1 ZINC000034795802 208108699 /nfs/dbraw/zinc/10/86/99/208108699.db2.gz LQWCLHNAIXTKHM-UHFFFAOYSA-N 0 1 359.473 5.504 50 0 FKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Cc2ccccc2)cc1 ZINC000034795806 208109203 /nfs/dbraw/zinc/10/92/03/208109203.db2.gz YFRQSFREIJTGCG-UHFFFAOYSA-N 0 1 373.500 5.433 50 0 FKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccs2)cc1 ZINC000034795814 570558847 /nfs/dbraw/zinc/55/88/47/570558847.db2.gz BKDHSQBUDINVHC-UHFFFAOYSA-N 0 1 365.502 5.565 50 0 FKAAMN CC(C)(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(C)(C)C)cc1 ZINC000034795816 570558770 /nfs/dbraw/zinc/55/87/70/570558770.db2.gz JFFFINFDJYSYFP-UHFFFAOYSA-N 0 1 353.510 5.626 50 0 FKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)C2CCCC2)cc1 ZINC000034795824 570558728 /nfs/dbraw/zinc/55/87/28/570558728.db2.gz AKWHFANQDHMXIK-UHFFFAOYSA-N 0 1 351.494 5.380 50 0 FKAAMN CCc1n[nH]c(-c2cccc(C(F)(F)F)c2)c1NC(=O)CC1CCCC1 ZINC000034796240 570558693 /nfs/dbraw/zinc/55/86/93/570558693.db2.gz WJINNSGQTPWWAI-UHFFFAOYSA-N 0 1 365.399 5.177 50 0 FKAAMN CCc1n[nH]c(-c2ccsc2)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034796539 571147829 /nfs/dbraw/zinc/14/78/29/571147829.db2.gz DIOYNZISKYCONQ-UHFFFAOYSA-N 0 1 366.273 5.260 50 0 FKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000034796592 570559181 /nfs/dbraw/zinc/55/91/81/570559181.db2.gz CKOAFSUOWBUYHT-UHFFFAOYSA-N 0 1 370.815 5.391 50 0 FKAAMN CCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000034796642 570559130 /nfs/dbraw/zinc/55/91/30/570559130.db2.gz JVSGOKHBZIGPDA-UHFFFAOYSA-N 0 1 366.440 5.546 50 0 FKAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1ccccc1Cl ZINC000034796894 571147832 /nfs/dbraw/zinc/14/78/32/571147832.db2.gz CILBMIRDYUBFDV-UHFFFAOYSA-N 0 1 363.804 5.242 50 0 FKAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1cccc(Cl)c1 ZINC000034796906 570559436 /nfs/dbraw/zinc/55/94/36/570559436.db2.gz HTSBVZQFOTZARG-UHFFFAOYSA-N 0 1 363.804 5.242 50 0 FKAAMN CCn1cc(CN2CCC[C@@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453902 571076767 /nfs/dbraw/zinc/07/67/67/571076767.db2.gz CZFDMVUWDPBZRE-OAQYLSRUSA-N 0 1 367.493 5.118 50 0 FKAAMN CCn1cc(CN2CCC[C@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453905 571076773 /nfs/dbraw/zinc/07/67/73/571076773.db2.gz CZFDMVUWDPBZRE-NRFANRHFSA-N 0 1 367.493 5.118 50 0 FKAAMN CCc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511273 571076808 /nfs/dbraw/zinc/07/68/08/571076808.db2.gz MTROAVOWWWHYEU-HXUWFJFHSA-N 0 1 364.493 5.088 50 0 FKAAMN CCc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511274 571076892 /nfs/dbraw/zinc/07/68/92/571076892.db2.gz MTROAVOWWWHYEU-FQEVSTJZSA-N 0 1 364.493 5.088 50 0 FKAAMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1C ZINC000035511277 571076921 /nfs/dbraw/zinc/07/69/21/571076921.db2.gz XNUWRHCFNQXSFT-HXUWFJFHSA-N 0 1 364.493 5.142 50 0 FKAAMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)no2)cc1C ZINC000035511278 571076747 /nfs/dbraw/zinc/07/67/47/571076747.db2.gz XNUWRHCFNQXSFT-FQEVSTJZSA-N 0 1 364.493 5.142 50 0 FKAAMN CC(C)CN(Cc1cccn1Cc1ccccc1F)Cc1ccccc1F ZINC000035841244 208136350 /nfs/dbraw/zinc/13/63/50/208136350.db2.gz MFJMLWXTKZXYTM-UHFFFAOYSA-N 0 1 368.471 5.473 50 0 FKAAMN CC(C)(C)N1C[C@H](C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000036046447 571192503 /nfs/dbraw/zinc/19/25/03/571192503.db2.gz XMFSKUXGHWGRAM-BJKOFHAPSA-N 0 1 369.508 6.008 50 0 FKAAMN CCCN(Cc1ccc(C(O)(CCC)CCC)o1)Cc1cccc(OC)c1 ZINC000036203416 571244926 /nfs/dbraw/zinc/24/49/26/571244926.db2.gz SMUOPQOBTOYMMJ-UHFFFAOYSA-N 0 1 373.537 5.488 50 0 FKAAMN CCc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000036347458 208153953 /nfs/dbraw/zinc/15/39/53/208153953.db2.gz DSTPGYRQZDHPCZ-QHCPKHFHSA-N 0 1 364.920 5.699 50 0 FKAAMN CCc1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000036347459 205010161 /nfs/dbraw/zinc/01/01/61/205010161.db2.gz DSTPGYRQZDHPCZ-HSZRJFAPSA-N 0 1 364.920 5.699 50 0 FKAAMN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347504 571248506 /nfs/dbraw/zinc/24/85/06/571248506.db2.gz QOPPQXGQVZBWEO-QFIPXVFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347504 571248505 /nfs/dbraw/zinc/24/85/05/571248505.db2.gz QOPPQXGQVZBWEO-QFIPXVFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347505 571248510 /nfs/dbraw/zinc/24/85/10/571248510.db2.gz QOPPQXGQVZBWEO-JOCHJYFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347505 571248508 /nfs/dbraw/zinc/24/85/08/571248508.db2.gz QOPPQXGQVZBWEO-JOCHJYFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)c1 ZINC000036347538 571248726 /nfs/dbraw/zinc/24/87/26/571248726.db2.gz CJLSYZXWESHADX-QFIPXVFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1cccc(CN2CCCn3cccc3[C@H]2c2cccc(Cl)c2)c1 ZINC000036347539 205010413 /nfs/dbraw/zinc/01/04/13/205010413.db2.gz 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/nfs/dbraw/zinc/24/90/67/571249067.db2.gz GTJBFKJWIDHLIQ-DEOSSOPVSA-N 0 1 362.492 5.746 50 0 FKAAMN CC(C)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2F)cc1 ZINC000036348023 205011056 /nfs/dbraw/zinc/01/10/56/205011056.db2.gz SVCHBOBKCQLYQY-XMMPIXPASA-N 0 1 362.492 5.746 50 0 FKAAMN CC(C)c1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2F)cc1 ZINC000036348024 208155012 /nfs/dbraw/zinc/15/50/12/208155012.db2.gz SVCHBOBKCQLYQY-DEOSSOPVSA-N 0 1 362.492 5.746 50 0 FKAAMN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2Cl)cc1 ZINC000036348043 208156015 /nfs/dbraw/zinc/15/60/15/208156015.db2.gz SXYULXDBRFLCAF-HSZRJFAPSA-N 0 1 364.920 5.699 50 0 FKAAMN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2Cl)cc1 ZINC000036348044 571249087 /nfs/dbraw/zinc/24/90/87/571249087.db2.gz SXYULXDBRFLCAF-QHCPKHFHSA-N 0 1 364.920 5.699 50 0 FKAAMN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1 ZINC000036348049 571248929 /nfs/dbraw/zinc/24/89/29/571248929.db2.gz LQRMZZGVQPAOEK-HSZRJFAPSA-N 0 1 364.920 5.699 50 0 FKAAMN CCc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1 ZINC000036348050 205010364 /nfs/dbraw/zinc/01/03/64/205010364.db2.gz LQRMZZGVQPAOEK-QHCPKHFHSA-N 0 1 364.920 5.699 50 0 FKAAMN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2OC)cc1 ZINC000036348057 205010548 /nfs/dbraw/zinc/01/05/48/205010548.db2.gz UJEUBIXIZUOCIA-XMMPIXPASA-N 0 1 360.501 5.054 50 0 FKAAMN CCc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2OC)cc1 ZINC000036348058 571248944 /nfs/dbraw/zinc/24/89/44/571248944.db2.gz UJEUBIXIZUOCIA-DEOSSOPVSA-N 0 1 360.501 5.054 50 0 FKAAMN Cc1ccc(C)c([C@@H]2c3cccn3CCCN2Cc2ccccc2Cl)c1 ZINC000036348111 571249114 /nfs/dbraw/zinc/24/91/14/571249114.db2.gz UDVGIUPZMRKUJU-HSZRJFAPSA-N 0 1 364.920 5.754 50 0 FKAAMN Cc1ccc(C)c([C@H]2c3cccn3CCCN2Cc2ccccc2Cl)c1 ZINC000036348112 208153457 /nfs/dbraw/zinc/15/34/57/208153457.db2.gz UDVGIUPZMRKUJU-QHCPKHFHSA-N 0 1 364.920 5.754 50 0 FKAAMN CC(C)c1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348247 571249049 /nfs/dbraw/zinc/24/90/49/571249049.db2.gz HKPZJSODDRGFKU-DEOSSOPVSA-N 0 1 362.492 5.746 50 0 FKAAMN CC(C)c1ccc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348248 571249054 /nfs/dbraw/zinc/24/90/54/571249054.db2.gz HKPZJSODDRGFKU-XMMPIXPASA-N 0 1 362.492 5.746 50 0 FKAAMN COc1cccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c1 ZINC000036348343 208156296 /nfs/dbraw/zinc/15/62/96/208156296.db2.gz ZAEPSOCVMFHGQN-VWLOTQADSA-N 0 1 374.528 5.615 50 0 FKAAMN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)C)cc2)c1 ZINC000036348344 571248758 /nfs/dbraw/zinc/24/87/58/571248758.db2.gz ZAEPSOCVMFHGQN-RUZDIDTESA-N 0 1 374.528 5.615 50 0 FKAAMN Cc1cccc([C@@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)c1 ZINC000036348373 208153911 /nfs/dbraw/zinc/15/39/11/208153911.db2.gz QCAPLSDBNYCZJI-JOCHJYFZSA-N 0 1 350.893 5.445 50 0 FKAAMN Cc1cccc([C@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)c1 ZINC000036348374 571248840 /nfs/dbraw/zinc/24/88/40/571248840.db2.gz QCAPLSDBNYCZJI-QFIPXVFZSA-N 0 1 350.893 5.445 50 0 FKAAMN CC(C)CCN1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523099 571287317 /nfs/dbraw/zinc/28/73/17/571287317.db2.gz HTPPJVOFIFCZKJ-IBGZPJMESA-N 0 1 351.321 5.636 50 0 FKAAMN CC(C)CCN1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037523100 208179680 /nfs/dbraw/zinc/17/96/80/208179680.db2.gz HTPPJVOFIFCZKJ-LJQANCHMSA-N 0 1 351.321 5.636 50 0 FKAAMN CC(C)(C)c1ccc([C@@H]2c3cccn3CCCN2Cc2ccncc2)cc1 ZINC000037523339 208180510 /nfs/dbraw/zinc/18/05/10/208180510.db2.gz DXMVCFLWFPBPOM-HSZRJFAPSA-N 0 1 359.517 5.176 50 0 FKAAMN CC(C)(C)c1ccc([C@H]2c3cccn3CCCN2Cc2ccncc2)cc1 ZINC000037523340 571287293 /nfs/dbraw/zinc/28/72/93/571287293.db2.gz DXMVCFLWFPBPOM-QHCPKHFHSA-N 0 1 359.517 5.176 50 0 FKAAMN Cc1ccc(/C=C2/CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(C)cc2)cc1 ZINC000038189584 208201643 /nfs/dbraw/zinc/20/16/43/208201643.db2.gz CPCCYTXCYNMEGO-CBIIRDDDSA-N 0 1 368.484 5.084 50 0 FKAAMN C[C@@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)N1CCCC1 ZINC000039916906 205047363 /nfs/dbraw/zinc/04/73/63/205047363.db2.gz VQLQDVGVKIMPDN-AWEZNQCLSA-N 0 1 357.860 5.034 50 0 FKAAMN C[C@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)N1CCCC1 ZINC000039916907 571066217 /nfs/dbraw/zinc/06/62/17/571066217.db2.gz VQLQDVGVKIMPDN-CQSZACIVSA-N 0 1 357.860 5.034 50 0 FKAAMN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000040157335 571088150 /nfs/dbraw/zinc/08/81/50/571088150.db2.gz HENCQGHEXCXIDG-IBGZPJMESA-N 0 1 360.501 5.397 50 0 FKAAMN Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000040157336 571088130 /nfs/dbraw/zinc/08/81/30/571088130.db2.gz HENCQGHEXCXIDG-LJQANCHMSA-N 0 1 360.501 5.397 50 0 FKAAMN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478271 208254720 /nfs/dbraw/zinc/25/47/20/208254720.db2.gz VOLMIOXYMRTSKI-UHFFFAOYSA-N 0 1 366.635 5.289 50 0 FKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478272 571098270 /nfs/dbraw/zinc/09/82/70/571098270.db2.gz PAXBGFHLRHNQSK-UHFFFAOYSA-N 0 1 366.635 5.289 50 0 FKAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478273 571098344 /nfs/dbraw/zinc/09/83/44/571098344.db2.gz PCUOXKMTLFLVAU-UHFFFAOYSA-N 0 1 366.635 5.289 50 0 FKAAMN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478277 571098319 /nfs/dbraw/zinc/09/83/19/571098319.db2.gz YTEHIBBGNKKQMI-UHFFFAOYSA-N 0 1 365.742 5.001 50 0 FKAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478278 571050423 /nfs/dbraw/zinc/05/04/23/571050423.db2.gz QSCGMEDHBRRLIH-UHFFFAOYSA-N 0 1 365.742 5.001 50 0 FKAAMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478332 205071450 /nfs/dbraw/zinc/07/14/50/205071450.db2.gz NTDWAFUNPSNSPP-UHFFFAOYSA-N 0 1 373.387 5.260 50 0 FKAAMN COc1ccc(CNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000040721336 205077906 /nfs/dbraw/zinc/07/79/06/205077906.db2.gz ZMSLOPLGLWQQDU-UHFFFAOYSA-N 0 1 361.363 5.264 50 0 FKAAMN Cc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)cc1 ZINC000040722031 571092801 /nfs/dbraw/zinc/09/28/01/571092801.db2.gz GUELYJZCQBLNNG-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)cc1 ZINC000040722032 571092627 /nfs/dbraw/zinc/09/26/27/571092627.db2.gz APACSEUANOAQOY-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Clc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000040722048 571092824 /nfs/dbraw/zinc/09/28/24/571092824.db2.gz XWQONAZUGODSAF-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1ccccc1Cn1cc(CNCc2ccccn2)c2ccccc21 ZINC000040722049 205077336 /nfs/dbraw/zinc/07/73/36/205077336.db2.gz YFPBNPZDEHMPAA-UHFFFAOYSA-N 0 1 361.876 5.028 50 0 FKAAMN COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722239 571092782 /nfs/dbraw/zinc/09/27/82/571092782.db2.gz DGFTVEWYAXQABF-IBGZPJMESA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722240 571092675 /nfs/dbraw/zinc/09/26/75/571092675.db2.gz DGFTVEWYAXQABF-LJQANCHMSA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1cccc(C)c1 ZINC000040722262 571092617 /nfs/dbraw/zinc/09/26/17/571092617.db2.gz USLDTBREZMIXGO-UHFFFAOYSA-N 0 1 365.448 5.012 50 0 FKAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1cccc(C)c1 ZINC000040722272 205078714 /nfs/dbraw/zinc/07/87/14/205078714.db2.gz UABNLLWAYPFTDS-UHFFFAOYSA-N 0 1 361.485 5.181 50 0 FKAAMN COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccccc1C ZINC000040722299 208262691 /nfs/dbraw/zinc/26/26/91/208262691.db2.gz FRZDJYIOYYMYTC-IBGZPJMESA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccccc1C ZINC000040722300 571093254 /nfs/dbraw/zinc/09/32/54/571093254.db2.gz FRZDJYIOYYMYTC-LJQANCHMSA-N 0 1 361.485 5.433 50 0 FKAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1C ZINC000040722322 571093258 /nfs/dbraw/zinc/09/32/58/571093258.db2.gz YEILHMGBKOCAPR-UHFFFAOYSA-N 0 1 365.448 5.012 50 0 FKAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1C ZINC000040722332 571093122 /nfs/dbraw/zinc/09/31/22/571093122.db2.gz LUGALYBSBGKOCH-UHFFFAOYSA-N 0 1 361.485 5.181 50 0 FKAAMN COc1cccc(CNCc2ccccc2)c1OCc1cccc(Cl)c1 ZINC000040722550 220917460 /nfs/dbraw/zinc/91/74/60/220917460.db2.gz KNNJGLFKHCPXET-UHFFFAOYSA-N 0 1 367.876 5.217 50 0 FKAAMN COc1cccc(CNCc2cccs2)c1OCc1cccc(Cl)c1 ZINC000040722568 571093234 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/nfs/dbraw/zinc/26/67/12/208266712.db2.gz GYSCZFLSAWFAML-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1cccc(COc2ccc(CNCc3ccccc3Cl)cc2)c1 ZINC000040728111 571093621 /nfs/dbraw/zinc/09/36/21/571093621.db2.gz ZNEVZTWYRRYRTQ-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN COc1ccccc1CNCc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728215 571093618 /nfs/dbraw/zinc/09/36/18/571093618.db2.gz CQNWSKJYJDHDPC-UHFFFAOYSA-N 0 1 367.876 5.217 50 0 FKAAMN CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OC(C)C ZINC000040729190 571094069 /nfs/dbraw/zinc/09/40/69/571094069.db2.gz JXKHJVXTNRGZPT-UHFFFAOYSA-N 0 1 368.304 5.469 50 0 FKAAMN COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OC(C)C ZINC000040729365 571093889 /nfs/dbraw/zinc/09/38/89/571093889.db2.gz KRLNCLLLIGHYDX-UHFFFAOYSA-N 0 1 354.277 5.079 50 0 FKAAMN COc1ccc(CNCc2cc(Cl)cc(Cl)c2OC(C)C)cc1 ZINC000040729871 208265471 /nfs/dbraw/zinc/26/54/71/208265471.db2.gz MVRNNCKJGSXXNY-UHFFFAOYSA-N 0 1 354.277 5.079 50 0 FKAAMN CC(C)Oc1c(Cl)cc(CNCc2ccccc2Cl)cc1Cl ZINC000040730664 208265665 /nfs/dbraw/zinc/26/56/65/208265665.db2.gz QOEPEYCKKWSAOK-UHFFFAOYSA-N 0 1 358.696 5.724 50 0 FKAAMN COc1ccccc1CNCc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730779 571093979 /nfs/dbraw/zinc/09/39/79/571093979.db2.gz DZBUVRGXCOHRAB-UHFFFAOYSA-N 0 1 354.277 5.079 50 0 FKAAMN CC(C)Oc1ccc(CNCc2ccccc2Cl)cc1Br ZINC000040730850 571093896 /nfs/dbraw/zinc/09/38/96/571093896.db2.gz LXZLSFAXHIGNMJ-UHFFFAOYSA-N 0 1 368.702 5.180 50 0 FKAAMN Clc1cccc(Cl)c1COc1ccccc1CNCc1ccccc1 ZINC000040731723 205079243 /nfs/dbraw/zinc/07/92/43/205079243.db2.gz PIMWSBOLZBQVKD-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN Clc1cccc(Cl)c1COc1ccccc1CNCc1cccnc1 ZINC000040731762 205078744 /nfs/dbraw/zinc/07/87/44/205078744.db2.gz GQPWRXVBPYDBSO-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1cccc(Cl)c1COc1ccccc1CNCc1ccncc1 ZINC000040731882 571094486 /nfs/dbraw/zinc/09/44/86/571094486.db2.gz SFVVVBCVHSKFDA-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Fc1ccc(COc2ccccc2CNCc2ccccc2)c(Cl)c1 ZINC000040731926 571094434 /nfs/dbraw/zinc/09/44/34/571094434.db2.gz FJFHPAIOWLIMAK-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN Fc1ccc(COc2ccccc2CNCc2cccs2)c(Cl)c1 ZINC000040731986 571094410 /nfs/dbraw/zinc/09/44/10/571094410.db2.gz OLZASCZPWITKQL-UHFFFAOYSA-N 0 1 361.869 5.409 50 0 FKAAMN Fc1ccc(CNCc2ccccc2OCc2ccc(F)cc2Cl)cc1 ZINC000040732032 571094337 /nfs/dbraw/zinc/09/43/37/571094337.db2.gz CRSXZWXPYKZAMZ-UHFFFAOYSA-N 0 1 373.830 5.487 50 0 FKAAMN Cc1ccc(CNCc2ccccc2OCc2ccc(F)cc2Cl)cc1 ZINC000040732062 208266577 /nfs/dbraw/zinc/26/65/77/208266577.db2.gz TYWPBWOWURVPHH-UHFFFAOYSA-N 0 1 369.867 5.656 50 0 FKAAMN Fc1cccc(Cl)c1COc1ccccc1CNCc1ccccc1 ZINC000040732133 571094466 /nfs/dbraw/zinc/09/44/66/571094466.db2.gz BREGNDZUPUHKQJ-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN Fc1cccc(Cl)c1COc1ccccc1CNCc1cccs1 ZINC000040732187 205079410 /nfs/dbraw/zinc/07/94/10/205079410.db2.gz JTMDIIKMEOXZHD-UHFFFAOYSA-N 0 1 361.869 5.409 50 0 FKAAMN Fc1ccc(CNCc2ccccc2OCc2c(F)cccc2Cl)cc1 ZINC000040732229 208266794 /nfs/dbraw/zinc/26/67/94/208266794.db2.gz UDTXIPQPXWAGPY-UHFFFAOYSA-N 0 1 373.830 5.487 50 0 FKAAMN Cc1ccc(CNCc2ccccc2OCc2c(F)cccc2Cl)cc1 ZINC000040732259 208265680 /nfs/dbraw/zinc/26/56/80/208265680.db2.gz SHTAETGEXBMPEJ-UHFFFAOYSA-N 0 1 369.867 5.656 50 0 FKAAMN Clc1ccc(COc2ccccc2CNCc2ccccc2)cc1Cl ZINC000040732328 571094342 /nfs/dbraw/zinc/09/43/42/571094342.db2.gz KDRQCGNJPKYIOS-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN Clc1ccc(COc2ccccc2CNCc2cccnc2)cc1Cl ZINC000040732367 571094481 /nfs/dbraw/zinc/09/44/81/571094481.db2.gz ZFNAPQRWWWGVHB-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1ccc(COc2ccccc2CNCc2ccncc2)cc1Cl ZINC000040732490 205078954 /nfs/dbraw/zinc/07/89/54/205078954.db2.gz RCQNKURNZQJPLN-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Fc1ccc(CNCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732628 571094355 /nfs/dbraw/zinc/09/43/55/571094355.db2.gz WIYKKMRIXFKXGZ-UHFFFAOYSA-N 0 1 355.840 5.348 50 0 FKAAMN Cc1ccc(CNCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732656 208265584 /nfs/dbraw/zinc/26/55/84/208265584.db2.gz MWOYZEPJRSCRRV-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN COc1ccc(CNCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000040732659 220917325 /nfs/dbraw/zinc/91/73/25/220917325.db2.gz HYMJXIWGKJBRPZ-UHFFFAOYSA-N 0 1 367.876 5.217 50 0 FKAAMN Cc1cccc(COc2ccc3ccccc3c2CNCc2cccnc2)c1 ZINC000040734806 571094945 /nfs/dbraw/zinc/09/49/45/571094945.db2.gz XICMHEYLEJIYFL-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1cccc(COc2ccc3ccccc3c2CNCc2ccccn2)c1 ZINC000040734931 208265371 /nfs/dbraw/zinc/26/53/71/208265371.db2.gz WYWGGORETLZCKU-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1cccc(COc2ccc3ccccc3c2CNCc2ccncc2)c1 ZINC000040734935 208265153 /nfs/dbraw/zinc/26/51/53/208265153.db2.gz NBCDWRSYNDGOHK-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1ccccc1COc1ccc2ccccc2c1CNCc1cccnc1 ZINC000040735022 571094777 /nfs/dbraw/zinc/09/47/77/571094777.db2.gz BEARRNQHZHZQHJ-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1ccccc1COc1ccc2ccccc2c1CNCc1ccccn1 ZINC000040735139 205079073 /nfs/dbraw/zinc/07/90/73/205079073.db2.gz BADUWMNTNNTMCD-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN Cc1ccccc1COc1ccc2ccccc2c1CNCc1ccncc1 ZINC000040735141 205078105 /nfs/dbraw/zinc/07/81/05/205078105.db2.gz IBNYYPTUDKOZCU-UHFFFAOYSA-N 0 1 368.480 5.412 50 0 FKAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000040737811 205078233 /nfs/dbraw/zinc/07/82/33/205078233.db2.gz AAIYYDZTZGVAJV-UHFFFAOYSA-N 0 1 371.864 5.201 50 0 FKAAMN Cc1cccc(COc2cccc(CNCc3ccccc3Cl)c2)c1 ZINC000040738082 205078701 /nfs/dbraw/zinc/07/87/01/205078701.db2.gz WVMUUWAVPNPMMN-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Cc1ccccc1COc1cccc(CNCc2ccccc2Cl)c1 ZINC000040738253 208266216 /nfs/dbraw/zinc/26/62/16/208266216.db2.gz VYJABOFEWOAJRB-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Clc1cccc(Cl)c1COc1cccc(CNCc2cccnc2)c1 ZINC000040738407 208265980 /nfs/dbraw/zinc/26/59/80/208265980.db2.gz FKLMMTFWKLIIEP-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1cccc(Cl)c1COc1cccc(CNCc2ccco2)c1 ZINC000040738469 571095166 /nfs/dbraw/zinc/09/51/66/571095166.db2.gz QDYMRUYJSFJWKN-UHFFFAOYSA-N 0 1 362.256 5.455 50 0 FKAAMN Clc1cccc(Cl)c1COc1cccc(CNCc2ccccn2)c1 ZINC000040738487 571095143 /nfs/dbraw/zinc/09/51/43/571095143.db2.gz GZRLPOGSXJVYEP-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1Cl ZINC000040738816 571095258 /nfs/dbraw/zinc/09/52/58/571095258.db2.gz CBGPUCYRTUCMBK-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1ccc(COc2cccc(CNCc3ccco3)c2)cc1Cl ZINC000040738877 571095136 /nfs/dbraw/zinc/09/51/36/571095136.db2.gz HYMCKFZSVUMIAG-UHFFFAOYSA-N 0 1 362.256 5.455 50 0 FKAAMN Clc1ccc(COc2cccc(CNCc3ccccn3)c2)cc1Cl ZINC000040738895 208266370 /nfs/dbraw/zinc/26/63/70/208266370.db2.gz XNPRIEJQYKTXGW-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN Clc1cccc(COc2cccc(CNCc3ccccc3Cl)c2)c1 ZINC000040738947 571095255 /nfs/dbraw/zinc/09/52/55/571095255.db2.gz CCSLWHCWKHGRNS-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN COc1ccccc1CNCc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040739024 571095744 /nfs/dbraw/zinc/09/57/44/571095744.db2.gz AKHCZUIRUDKECU-UHFFFAOYSA-N 0 1 367.876 5.217 50 0 FKAAMN Cc1cccc(COc2ccc(Cl)cc2CNCc2ccccc2)c1 ZINC000040742891 571095699 /nfs/dbraw/zinc/09/56/99/571095699.db2.gz YYKCJBZQTJGQPY-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Cc1cccc(COc2ccc(Cl)cc2CN[C@@H](C)c2ccccc2)c1 ZINC000040742898 205080385 /nfs/dbraw/zinc/08/03/85/205080385.db2.gz PTRCTDIIEZJLSO-SFHVURJKSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1cccc(COc2ccc(Cl)cc2CN[C@H](C)c2ccccc2)c1 ZINC000040742899 205080532 /nfs/dbraw/zinc/08/05/32/205080532.db2.gz PTRCTDIIEZJLSO-GOSISDBHSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1cccc(COc2ccc(Cl)cc2CNCc2cccs2)c1 ZINC000040742909 208266724 /nfs/dbraw/zinc/26/67/24/208266724.db2.gz DKQIXVKIBMGGEC-UHFFFAOYSA-N 0 1 357.906 5.579 50 0 FKAAMN Cc1cccc(COc2ccc(Cl)cc2CNCc2ccc(F)cc2)c1 ZINC000040742923 205080090 /nfs/dbraw/zinc/08/00/90/205080090.db2.gz HUCFPGKKKRABKR-UHFFFAOYSA-N 0 1 369.867 5.656 50 0 FKAAMN Cc1ccc(CNCc2cc(Cl)ccc2OCc2cccc(C)c2)cc1 ZINC000040742933 571095669 /nfs/dbraw/zinc/09/56/69/571095669.db2.gz DZYQXMRAAGEFSP-UHFFFAOYSA-N 0 1 365.904 5.826 50 0 FKAAMN Cc1ccccc1COc1ccc(Cl)cc1CNCc1ccccc1 ZINC000040742956 208268697 /nfs/dbraw/zinc/26/86/97/208268697.db2.gz ZCRWNOPGGMRWRB-UHFFFAOYSA-N 0 1 351.877 5.517 50 0 FKAAMN Cc1ccccc1COc1ccc(Cl)cc1CN[C@@H](C)c1ccccc1 ZINC000040742963 208268123 /nfs/dbraw/zinc/26/81/23/208268123.db2.gz DFTWYAXBGSRWLK-SFHVURJKSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1ccccc1COc1ccc(Cl)cc1CN[C@H](C)c1ccccc1 ZINC000040742964 208267619 /nfs/dbraw/zinc/26/76/19/208267619.db2.gz DFTWYAXBGSRWLK-GOSISDBHSA-N 0 1 365.904 6.078 50 0 FKAAMN Cc1ccccc1COc1ccc(Cl)cc1CNCc1cccs1 ZINC000040742974 571095648 /nfs/dbraw/zinc/09/56/48/571095648.db2.gz GIVBQHYMSPCVKW-UHFFFAOYSA-N 0 1 357.906 5.579 50 0 FKAAMN Cc1ccccc1COc1ccc(Cl)cc1CNCc1ccc(F)cc1 ZINC000040742988 571095643 /nfs/dbraw/zinc/09/56/43/571095643.db2.gz MVJGWHUCGJJQNW-UHFFFAOYSA-N 0 1 369.867 5.656 50 0 FKAAMN Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2C)cc1 ZINC000040743007 208267743 /nfs/dbraw/zinc/26/77/43/208267743.db2.gz RPYSMKQJFVOVGH-UHFFFAOYSA-N 0 1 365.904 5.826 50 0 FKAAMN Clc1cccc(COc2ccc(Cl)cc2CNCc2ccccc2)c1 ZINC000040743496 571096048 /nfs/dbraw/zinc/09/60/48/571096048.db2.gz IKSVIYWIJGBCDP-UHFFFAOYSA-N 0 1 372.295 5.862 50 0 FKAAMN Clc1cccc(COc2ccc(Cl)cc2CNCc2ccncc2)c1 ZINC000040743550 208269240 /nfs/dbraw/zinc/26/92/40/208269240.db2.gz NKZMZMNDMUXRPP-UHFFFAOYSA-N 0 1 373.283 5.257 50 0 FKAAMN CC(C)c1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044837935 570900171 /nfs/dbraw/zinc/90/01/71/570900171.db2.gz HNOAUMVXULAMPP-UHFFFAOYSA-N 0 1 355.441 5.606 50 0 FKAAMN CC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000044837940 570900319 /nfs/dbraw/zinc/90/03/19/570900319.db2.gz JZAMYFSFXCRWCJ-UHFFFAOYSA-N 0 1 355.441 5.606 50 0 FKAAMN CCCCc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000044837945 570900731 /nfs/dbraw/zinc/90/07/31/570900731.db2.gz RYZYHVYIULPHBB-UHFFFAOYSA-N 0 1 369.468 5.825 50 0 FKAAMN O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044837950 570900753 /nfs/dbraw/zinc/90/07/53/570900753.db2.gz IXFVDPWJTVDGJI-UHFFFAOYSA-N 0 1 367.452 5.361 50 0 FKAAMN CSc1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044838027 211802129 /nfs/dbraw/zinc/80/21/29/211802129.db2.gz KHLDALJWQWNYGI-UHFFFAOYSA-N 0 1 359.454 5.204 50 0 FKAAMN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838186 570900891 /nfs/dbraw/zinc/90/08/91/570900891.db2.gz NGHBQKZCHHAPCU-UHFFFAOYSA-N 0 1 365.795 5.275 50 0 FKAAMN O=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838191 570900848 /nfs/dbraw/zinc/90/08/48/570900848.db2.gz LJSYARPLNYHZJW-UHFFFAOYSA-N 0 1 365.795 5.275 50 0 FKAAMN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838196 570900844 /nfs/dbraw/zinc/90/08/44/570900844.db2.gz WDCJTRKTWHEHSS-UHFFFAOYSA-N 0 1 365.795 5.275 50 0 FKAAMN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838240 570900884 /nfs/dbraw/zinc/90/08/84/570900884.db2.gz STRMCCQLIQWBOY-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838244 570900709 /nfs/dbraw/zinc/90/07/09/570900709.db2.gz BKPXXCUUNWOUHG-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838248 570900868 /nfs/dbraw/zinc/90/08/68/570900868.db2.gz TXTPMFHEFPCSRM-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c(Cl)c1 ZINC000044838268 570900835 /nfs/dbraw/zinc/90/08/35/570900835.db2.gz DPLQHIRZUMFEAG-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1Cl ZINC000044838273 570900855 /nfs/dbraw/zinc/90/08/55/570900855.db2.gz ISYYJQWGNCXEOQ-UHFFFAOYSA-N 0 1 361.832 5.444 50 0 FKAAMN CSc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000044838332 570900801 /nfs/dbraw/zinc/90/08/01/570900801.db2.gz PVDFOKWYMVOEHT-UHFFFAOYSA-N 0 1 359.454 5.204 50 0 FKAAMN Cc1cc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)ccc1Cl ZINC000044838342 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Cc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1C ZINC000046914217 205139578 /nfs/dbraw/zinc/13/95/78/205139578.db2.gz DTXIAQUQAVHSPK-UHFFFAOYSA-N 0 1 350.809 5.064 50 0 FKAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)cc1C ZINC000046914223 205140495 /nfs/dbraw/zinc/14/04/95/205140495.db2.gz FTUKFJSXWAIVKH-UHFFFAOYSA-N 0 1 350.809 5.064 50 0 FKAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccc4Cl)no3)[nH]n2)c1 ZINC000046914274 570877127 /nfs/dbraw/zinc/87/71/27/570877127.db2.gz NLPGRMRZTBVEOD-UHFFFAOYSA-N 0 1 350.809 5.064 50 0 FKAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)c1 ZINC000046914282 205140152 /nfs/dbraw/zinc/14/01/52/205140152.db2.gz XKUYSNAFIYIEPH-UHFFFAOYSA-N 0 1 350.809 5.064 50 0 FKAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)[nH]n2)c1 ZINC000046914288 570877100 /nfs/dbraw/zinc/87/71/00/570877100.db2.gz UAYAGOFWVAGKII-UHFFFAOYSA-N 0 1 350.809 5.064 50 0 FKAAMN Cc1ccccc1-c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]n1 ZINC000046914401 211845397 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